5-Phenyloxazole - CAS 1006-68-4

Catalog:	BB000290
Product Name:	5-Phenyloxazole
CAS:	1006-68-4
Synonyms:	5-phenyloxazole; 5-phenyl-1,3-oxazole

Technical Data

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Computed Properties

IUPAC Name:	5-phenyl-1,3-oxazole
Description:	5-Phenyloxazole (CAS# 1006-68-4) is a useful research chemical.
Molecular Weight:	145.16
Molecular Formula:	C9H7NO
Canonical SMILES:	C1=CC=C(C=C1)C2=CN=CO2
InChI:	InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
InChI Key:	YPYPBEGIASEWKA-UHFFFAOYSA-N
Boiling Point:	261.6 °C at 760 mmHg
Density:	1.11 g/cm³
Appearance:	Light yellow to orange crystalline low melting
Storage:	Sealed in dry, 2-8 °C
LogP:	2.34160

Publication Number	Title	Priority Date
WO-2020183011-A1	Htr1d inhibitors and uses thereof in the treatment of cancer	20190314
CN-109581469-A	A kind of Area Circular plastic scintillant processing method	20181113
KR-20200007332-A	Pyrimininone derivative compounds and use thereof	20180712
KR-102131022-B1	Pyrimininone derivative compounds and use thereof	20180712
CN-108558785-B	5-aryl-2-arylseleno-1, 3-oxazole compound and preparation method thereof	20180219

PMID	Publication Date	Title	Journal
31753802	20200101	Design, synthesis and biological evaluation of imidazole and oxazole fragments as HIV-1 integrase-LEDGF/p75 disruptors and inhibitors of microbial pathogens	Bioorganic & medicinal chemistry
22683241	20120801	Synthesis and biological evaluation of isoxazole, oxazole, and oxadiazole containing heteroaryl analogs of biaryl ureas as DGAT1 inhibitors	European journal of medicinal chemistry
21515054	20110601	Synthesis and evaluation of heteroarylalanine diacids as potent and selective neutral endopeptidase inhibitors	Bioorganic & medicinal chemistry letters
12027670	20020531	Metalation of 4-oxazolinyloxazole derivatives. A convenient route to 2,4-bifunctionalized oxazoles	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.052763847
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2